2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide

C15H23BrN2O2 — CID 115962991

IUPAC2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
SMILESCCC(N)Cc1cc(Br)cc(C)c1OCC(=O)N(C)C
InChIInChI=1S/C15H23BrN2O2/c1-5-13(17)8-11-7-12(16)6-10(2)15(11)20-9-14(19)18(3)4/h6-7,13H,5,8-9,17H2,1-4H3
InChIKeyWXLHBTCGXQMJML-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide

2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide (PubChem CID 115962991) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
PubChem CID115962991
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide
SMILESCCC(N)Cc1cc(Br)cc(C)c1OCC(=O)N(C)C
InChIInChI=1S/C15H23BrN2O2/c1-5-13(17)8-11-7-12(16)6-10(2)15(11)20-9-14(19)18(3)4/h6-7,13H,5,8-9,17H2,1-4H3
InChIKeyWXLHBTCGXQMJML-UHFFFAOYSA-N
XLogP2.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]acetate
CID 115962903
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 115962971
2-[2-(2-aminopropyl)-4-bromo-6-methylphenoxy]-N,N-diethylacetamide
CID 115962824
2-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 112620028
1-[5-bromo-3-methyl-2-(2-methylbutoxy)phenyl]butan-2-amine
CID 112621761
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N-methylpropanamide
CID 115962935
1-[5-bromo-3-methyl-2-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 115962988
1-[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]butan-2-amine
CID 112621766
2-(2-amino-4-bromo-6-methylphenoxy)-N-ethyl-N-methylacetamide
CID 79843874
1-(5-bromo-2-hept-6-enoxy-3-methylphenyl)butan-2-amine
CID 107009957
1-[5-bromo-3-methyl-2-(oxan-4-ylmethoxy)phenyl]butan-2-amine
CID 115962930
ethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 875019

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide (CID 115962991) is 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide is CCC(N)Cc1cc(Br)cc(C)c1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide?
The InChIKey is WXLHBTCGXQMJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-5-13(17)8-11-7-12(16)6-10(2)15(11)20-9-14(19)18(3)4/h6-7,13H,5,8-9,17H2,1-4H3.
What are the key properties of 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide?
2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide has a molecular weight of 343.27 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-bromo-6-methylphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 115962991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).